1-(2,4-dichlorophenyl)ethanamine;ethane

C12H21Cl2N — CID 142953133

IUPAC1-(2,4-dichlorophenyl)ethanamine;ethane
SMILESCC.CC.CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N.2C2H6/c1-5(11)7-3-2-6(9)4-8(7)10;2*1-2/h2-5H,11H2,1H3;2*1-2H3
InChIKeyPVJQANOQWWLHBD-UHFFFAOYSA-N
MW250.21 g/mol
LogP5.07
Rot. Bonds1

About 1-(2,4-dichlorophenyl)ethanamine;ethane

1-(2,4-dichlorophenyl)ethanamine;ethane (PubChem CID 142953133) has the molecular formula C12H21Cl2N and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)ethanamine;ethane.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)ethanamine;ethane
PubChem CID142953133
Molecular FormulaC12H21Cl2N
Molecular Weight250.21 g/mol
Exact Mass249.11
IUPAC Name1-(2,4-dichlorophenyl)ethanamine;ethane
SMILESCC.CC.CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N.2C2H6/c1-5(11)7-3-2-6(9)4-8(7)10;2*1-2/h2-5H,11H2,1H3;2*1-2H3
InChIKeyPVJQANOQWWLHBD-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.21
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine
CID 82822411
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
2-(2,4-dichlorophenyl)hexan-3-amine
CID 83048374

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)ethanamine;ethane?
The IUPAC name of 1-(2,4-dichlorophenyl)ethanamine;ethane (CID 142953133) is 1-(2,4-dichlorophenyl)ethanamine;ethane.
What is the SMILES notation for 1-(2,4-dichlorophenyl)ethanamine;ethane?
The canonical SMILES for 1-(2,4-dichlorophenyl)ethanamine;ethane is CC.CC.CC(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)ethanamine;ethane?
The InChIKey is PVJQANOQWWLHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N.2C2H6/c1-5(11)7-3-2-6(9)4-8(7)10;2*1-2/h2-5H,11H2,1H3;2*1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)ethanamine;ethane?
1-(2,4-dichlorophenyl)ethanamine;ethane has a molecular weight of 250.21 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)ethanamine;ethane is sourced from PubChem (CID 142953133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).